scholarly journals Density Functional Theory Analysis of the Interplay between Jahn−Teller Instability, Uniaxial Magnetism, Spin Arrangement, Metal−Metal Interaction, and Spin−Orbit Coupling in Ca3CoMO6(M = Co, Rh, Ir)

2011 ◽  
Vol 50 (5) ◽  
pp. 1758-1766 ◽  
Author(s):  
Yuemei Zhang ◽  
Erjun Kan ◽  
Hongjun Xiang ◽  
Antoine Villesuzanne ◽  
Myung-Hwan Whangbo
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Theory Analysis ◽  
Functional Theory ◽  
Metal Metal ◽  
Jahn Teller ◽  
Spin Arrangement

Spin–orbit coupling effect on Au–C60 interaction: A density functional theory study

2012 ◽  
Vol 395 ◽  
pp. 82-86 ◽  
Author(s):  
Qun Zeng ◽  
Xiang Chu ◽  
Mingli Yang ◽  
De-Yin Wu
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Coupling Effect ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Density Functional Theory Study ◽  
Functional Theory

scholarly journals Spin–orbit coupling effect on electronic, optical, and thermoelectric properties of Janus Ga2SSe

RSC Advances ◽  
2020 ◽  
Vol 10 (73) ◽  
pp. 44785-44792
Author(s):  
Hong T. T. Nguyen ◽  
Vo T. T. Vi ◽  
Tuan V. Vu ◽  
Nguyen V. Hieu ◽  
Dung V. Lu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Thermoelectric Properties ◽  
Density Functional ◽  
Coupling Effect ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Functional Theory

In this paper, we investigate the electronic, optical, and thermoelectric properties of Ga2SSe monolayer by using density functional theory.

Sign in / Sign up

Export Citation Format

Share Document